SCHEMBL9841338

SCHEMBL9841338

CC[C@H]1CC[C@H](C(=O)Oc2ccc(S(F)(F)(F)(F)F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
F2 P00734 1/20 0.45
ELANE P08246 2/20 0.44
POLB P06746 2/20 0.39
HPGD P15428 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9841652 0.96 HTT (0.45) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841966 0.89 HTT (0.46) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL20045170 0.88 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL12154218 0.88 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841751 0.87 KMT2A (0.44) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841520 0.86 HTT (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841311 0.86 HTT (0.43) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841176 0.85 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841740 0.85 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1F2
SCHEMBL9841725 0.85 HTT (0.42) KMT2AHTTSMN1; SMN2TDP1F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055223-A For use in liquid crystal display elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-10-08 US disclosed